USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot 141:sc= 0.00188 USER MOD Set 1.2: A 50 THR OG1 : rot -52:sc= 0.263 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.459 K(o=-0.38,f=-5.3!) USER MOD Set 2.2: A 33 TYR OH : rot 37:sc= -0.837 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -152:sc= 0.783 (180deg=0) USER MOD Set 3.2: A 51 HIS : no HD1:sc= -1.76! K(o=-0.97!,f=-2.1) USER MOD Set 4.1: A 1 ASP N :NH3+ -130:sc= 0.0657 (180deg=-0.0114) USER MOD Set 4.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -48:sc= -4.23! USER MOD Single : A 8 TYR OH : rot 165:sc= -0.479 USER MOD Single : A 16 TYR OH : rot -24:sc= -2.07 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.37) USER MOD Single : A 35 ASN : amide:sc= -6.64! C(o=-6.6!,f=-21!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= 0.158 K(o=0.16,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -6.74! C(o=-6.7!,f=-9.1!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0047 K(o=-0.0047,f=-1.5!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.000903 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -77:sc= 1.21 USER MOD Single : A 62 SER OG : rot -78:sc= 1.3 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.037 -11.612 6.622 1.00 0.00 N ATOM 2 CA ASP A 1 -16.924 -12.087 7.491 1.00 0.00 C ATOM 3 C ASP A 1 -15.940 -10.942 7.730 1.00 0.00 C ATOM 4 O ASP A 1 -16.023 -9.900 7.112 1.00 0.00 O ATOM 5 CB ASP A 1 -16.197 -13.245 6.804 1.00 0.00 C ATOM 6 CG ASP A 1 -17.169 -14.408 6.599 1.00 0.00 C ATOM 7 OD1 ASP A 1 -18.219 -14.393 7.220 1.00 0.00 O ATOM 8 OD2 ASP A 1 -16.848 -15.293 5.824 1.00 0.00 O ATOM 0 H1 ASP A 1 -18.948 -11.867 7.054 1.00 0.00 H new ATOM 0 H2 ASP A 1 -17.980 -10.579 6.519 1.00 0.00 H new ATOM 0 H3 ASP A 1 -17.961 -12.058 5.686 1.00 0.00 H new ATOM 0 HA ASP A 1 -17.329 -12.426 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -15.796 -12.919 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -15.350 -13.567 7.410 1.00 0.00 H new ATOM 15 N SER A 2 -15.007 -11.128 8.622 1.00 0.00 N ATOM 16 CA SER A 2 -14.017 -10.050 8.899 1.00 0.00 C ATOM 17 C SER A 2 -13.521 -9.461 7.577 1.00 0.00 C ATOM 18 O SER A 2 -13.233 -8.285 7.480 1.00 0.00 O ATOM 19 CB SER A 2 -12.835 -10.634 9.671 1.00 0.00 C ATOM 20 OG SER A 2 -13.144 -10.662 11.057 1.00 0.00 O ATOM 0 H SER A 2 -14.887 -11.979 9.171 1.00 0.00 H new ATOM 0 HA SER A 2 -14.488 -9.266 9.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.616 -11.641 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.942 -10.034 9.498 1.00 0.00 H new ATOM 0 HG SER A 2 -13.504 -9.792 11.330 1.00 0.00 H new ATOM 26 N GLU A 3 -13.425 -10.269 6.557 1.00 0.00 N ATOM 27 CA GLU A 3 -12.954 -9.753 5.242 1.00 0.00 C ATOM 28 C GLU A 3 -13.776 -8.520 4.877 1.00 0.00 C ATOM 29 O GLU A 3 -13.312 -7.627 4.197 1.00 0.00 O ATOM 30 CB GLU A 3 -13.141 -10.830 4.172 1.00 0.00 C ATOM 31 CG GLU A 3 -11.847 -11.637 4.031 1.00 0.00 C ATOM 32 CD GLU A 3 -12.020 -12.688 2.932 1.00 0.00 C ATOM 33 OE1 GLU A 3 -12.898 -12.511 2.105 1.00 0.00 O ATOM 34 OE2 GLU A 3 -11.271 -13.651 2.937 1.00 0.00 O ATOM 0 H GLU A 3 -13.652 -11.263 6.578 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.898 -9.491 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.966 -11.489 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.401 -10.370 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.017 -10.974 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.602 -12.121 4.977 1.00 0.00 H new ATOM 41 N MET A 4 -14.994 -8.462 5.337 1.00 0.00 N ATOM 42 CA MET A 4 -15.851 -7.284 5.034 1.00 0.00 C ATOM 43 C MET A 4 -15.443 -6.131 5.950 1.00 0.00 C ATOM 44 O MET A 4 -15.511 -4.975 5.582 1.00 0.00 O ATOM 45 CB MET A 4 -17.318 -7.641 5.276 1.00 0.00 C ATOM 46 CG MET A 4 -17.726 -8.780 4.340 1.00 0.00 C ATOM 47 SD MET A 4 -19.471 -9.183 4.604 1.00 0.00 S ATOM 48 CE MET A 4 -19.558 -10.579 3.456 1.00 0.00 C ATOM 0 H MET A 4 -15.433 -9.182 5.911 1.00 0.00 H new ATOM 0 HA MET A 4 -15.725 -6.991 3.992 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.465 -7.939 6.314 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.949 -6.769 5.102 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.562 -8.489 3.303 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.107 -9.658 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.568 -10.990 3.459 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.307 -10.240 2.451 1.00 0.00 H new ATOM 0 HE3 MET A 4 -18.852 -11.349 3.766 1.00 0.00 H new ATOM 58 N CYS A 5 -15.006 -6.440 7.141 1.00 0.00 N ATOM 59 CA CYS A 5 -14.578 -5.369 8.082 1.00 0.00 C ATOM 60 C CYS A 5 -13.133 -4.974 7.768 1.00 0.00 C ATOM 61 O CYS A 5 -12.551 -4.135 8.428 1.00 0.00 O ATOM 62 CB CYS A 5 -14.662 -5.884 9.521 1.00 0.00 C ATOM 63 SG CYS A 5 -16.136 -6.916 9.712 1.00 0.00 S ATOM 0 H CYS A 5 -14.927 -7.391 7.502 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.231 -4.503 7.970 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -13.769 -6.459 9.765 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -14.700 -5.045 10.216 1.00 0.00 H new ATOM 68 N LYS A 6 -12.546 -5.572 6.767 1.00 0.00 N ATOM 69 CA LYS A 6 -11.142 -5.227 6.417 1.00 0.00 C ATOM 70 C LYS A 6 -11.065 -3.753 6.019 1.00 0.00 C ATOM 71 O LYS A 6 -10.067 -3.093 6.235 1.00 0.00 O ATOM 72 CB LYS A 6 -10.679 -6.097 5.246 1.00 0.00 C ATOM 73 CG LYS A 6 -10.112 -7.410 5.783 1.00 0.00 C ATOM 74 CD LYS A 6 -9.289 -8.096 4.691 1.00 0.00 C ATOM 75 CE LYS A 6 -9.065 -9.564 5.065 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.667 -9.747 5.546 1.00 0.00 N ATOM 0 H LYS A 6 -12.979 -6.284 6.178 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.498 -5.406 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.514 -6.296 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.921 -5.571 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.489 -7.219 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.923 -8.063 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.807 -8.029 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.331 -7.590 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.770 -9.864 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.250 -10.203 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.358 -10.721 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.040 -9.080 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.626 -9.567 6.570 1.00 0.00 H new ATOM 90 N ASP A 7 -12.108 -3.230 5.438 1.00 0.00 N ATOM 91 CA ASP A 7 -12.089 -1.799 5.026 1.00 0.00 C ATOM 92 C ASP A 7 -13.483 -1.188 5.195 1.00 0.00 C ATOM 93 O ASP A 7 -14.144 -0.853 4.233 1.00 0.00 O ATOM 94 CB ASP A 7 -11.664 -1.699 3.560 1.00 0.00 C ATOM 95 CG ASP A 7 -10.177 -2.043 3.436 1.00 0.00 C ATOM 96 OD1 ASP A 7 -9.437 -1.722 4.351 1.00 0.00 O ATOM 97 OD2 ASP A 7 -9.806 -2.623 2.429 1.00 0.00 O ATOM 0 H ASP A 7 -12.972 -3.731 5.231 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.382 -1.255 5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.258 -2.380 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.848 -0.692 3.185 1.00 0.00 H new ATOM 102 N TYR A 8 -13.932 -1.031 6.412 1.00 0.00 N ATOM 103 CA TYR A 8 -15.279 -0.431 6.638 1.00 0.00 C ATOM 104 C TYR A 8 -15.126 0.858 7.451 1.00 0.00 C ATOM 105 O TYR A 8 -14.031 1.333 7.676 1.00 0.00 O ATOM 106 CB TYR A 8 -16.165 -1.421 7.401 1.00 0.00 C ATOM 107 CG TYR A 8 -15.739 -1.477 8.848 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.548 -2.119 9.203 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.536 -0.886 9.836 1.00 0.00 C ATOM 110 CE1 TYR A 8 -14.151 -2.170 10.545 1.00 0.00 C ATOM 111 CE2 TYR A 8 -16.141 -0.936 11.178 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.948 -1.578 11.533 1.00 0.00 C ATOM 113 OH TYR A 8 -14.557 -1.626 12.855 1.00 0.00 O ATOM 0 H TYR A 8 -13.425 -1.292 7.258 1.00 0.00 H new ATOM 0 HA TYR A 8 -15.743 -0.205 5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.209 -1.117 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.090 -2.411 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.934 -2.576 8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.456 -0.391 9.562 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.231 -2.665 10.818 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.756 -0.480 11.939 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.077 -0.978 13.374 1.00 0.00 H new ATOM 123 N ARG A 9 -16.213 1.426 7.893 1.00 0.00 N ATOM 124 CA ARG A 9 -16.122 2.683 8.690 1.00 0.00 C ATOM 125 C ARG A 9 -17.301 2.765 9.663 1.00 0.00 C ATOM 126 O ARG A 9 -18.361 2.226 9.416 1.00 0.00 O ATOM 127 CB ARG A 9 -16.154 3.888 7.749 1.00 0.00 C ATOM 128 CG ARG A 9 -15.734 5.143 8.517 1.00 0.00 C ATOM 129 CD ARG A 9 -15.746 6.349 7.573 1.00 0.00 C ATOM 130 NE ARG A 9 -15.425 7.584 8.342 1.00 0.00 N ATOM 131 CZ ARG A 9 -14.516 8.411 7.900 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.843 9.635 7.590 1.00 0.00 N ATOM 133 NH2 ARG A 9 -13.280 8.013 7.771 1.00 0.00 N ATOM 0 H ARG A 9 -17.158 1.076 7.738 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.189 2.685 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.484 3.723 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.156 4.017 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.413 5.315 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.738 5.008 8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.019 6.206 6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.724 6.445 7.101 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.915 7.784 9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.809 9.946 7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.133 10.281 7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.024 7.056 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.570 8.659 7.426 1.00 0.00 H new ATOM 147 N VAL A 10 -17.124 3.439 10.767 1.00 0.00 N ATOM 148 CA VAL A 10 -18.233 3.561 11.756 1.00 0.00 C ATOM 149 C VAL A 10 -18.124 4.904 12.481 1.00 0.00 C ATOM 150 O VAL A 10 -17.071 5.278 12.958 1.00 0.00 O ATOM 151 CB VAL A 10 -18.137 2.422 12.775 1.00 0.00 C ATOM 152 CG1 VAL A 10 -19.074 2.711 13.951 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.543 1.105 12.113 1.00 0.00 C ATOM 0 H VAL A 10 -16.258 3.911 11.027 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.190 3.504 11.237 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.111 2.344 13.135 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -19.007 1.901 14.677 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.784 3.649 14.425 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -20.099 2.789 13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.474 0.296 12.840 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.568 1.181 11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.877 0.898 11.276 1.00 0.00 H new ATOM 163 N LEU A 11 -19.204 5.630 12.572 1.00 0.00 N ATOM 164 CA LEU A 11 -19.161 6.945 13.270 1.00 0.00 C ATOM 165 C LEU A 11 -19.815 6.807 14.647 1.00 0.00 C ATOM 166 O LEU A 11 -20.351 5.771 14.985 1.00 0.00 O ATOM 167 CB LEU A 11 -19.918 7.986 12.443 1.00 0.00 C ATOM 168 CG LEU A 11 -18.924 8.993 11.860 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.648 8.649 10.394 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.510 10.403 11.951 1.00 0.00 C ATOM 0 H LEU A 11 -20.114 5.369 12.193 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.125 7.264 13.389 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.470 7.497 11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.650 8.500 13.067 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.993 8.950 12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.940 9.366 9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.228 7.645 10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.579 8.690 9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.801 11.119 11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.442 10.447 11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.705 10.649 12.995 1.00 0.00 H new ATOM 182 N PRO A 12 -19.767 7.877 15.456 1.00 0.00 N ATOM 183 CA PRO A 12 -20.354 7.881 16.802 1.00 0.00 C ATOM 184 C PRO A 12 -21.884 7.795 16.763 1.00 0.00 C ATOM 185 O PRO A 12 -22.513 7.350 17.702 1.00 0.00 O ATOM 186 CB PRO A 12 -19.918 9.228 17.378 1.00 0.00 C ATOM 187 CG PRO A 12 -19.682 10.084 16.182 1.00 0.00 C ATOM 188 CD PRO A 12 -19.140 9.168 15.123 1.00 0.00 C ATOM 0 HA PRO A 12 -20.028 7.024 17.391 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.687 9.651 18.024 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.015 9.129 17.980 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.606 10.559 15.853 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.976 10.883 16.407 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.411 9.503 14.122 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.052 9.110 15.157 1.00 0.00 H new ATOM 196 N ARG A 13 -22.484 8.215 15.684 1.00 0.00 N ATOM 197 CA ARG A 13 -23.970 8.155 15.589 1.00 0.00 C ATOM 198 C ARG A 13 -24.381 6.884 14.842 1.00 0.00 C ATOM 199 O ARG A 13 -25.450 6.347 15.053 1.00 0.00 O ATOM 200 CB ARG A 13 -24.487 9.377 14.829 1.00 0.00 C ATOM 201 CG ARG A 13 -24.179 10.645 15.627 1.00 0.00 C ATOM 202 CD ARG A 13 -24.715 11.864 14.872 1.00 0.00 C ATOM 203 NE ARG A 13 -24.198 13.109 15.506 1.00 0.00 N ATOM 204 CZ ARG A 13 -24.180 14.225 14.830 1.00 0.00 C ATOM 205 NH1 ARG A 13 -23.079 14.623 14.253 1.00 0.00 N ATOM 206 NH2 ARG A 13 -25.265 14.944 14.729 1.00 0.00 N ATOM 0 H ARG A 13 -22.011 8.597 14.865 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.395 8.145 16.593 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.019 9.431 13.846 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.561 9.289 14.667 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.635 10.586 16.615 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -23.104 10.741 15.778 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.408 11.821 13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.805 11.862 14.885 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.858 13.089 16.468 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -22.231 14.061 14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -23.067 15.496 13.725 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -26.126 14.633 15.178 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -25.251 15.816 14.201 1.00 0.00 H new ATOM 220 N ILE A 14 -23.541 6.402 13.967 1.00 0.00 N ATOM 221 CA ILE A 14 -23.886 5.168 13.207 1.00 0.00 C ATOM 222 C ILE A 14 -23.552 3.936 14.050 1.00 0.00 C ATOM 223 O ILE A 14 -24.335 3.012 14.152 1.00 0.00 O ATOM 224 CB ILE A 14 -23.078 5.129 11.908 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.437 6.341 11.046 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.405 3.844 11.144 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.434 6.466 9.897 1.00 0.00 C ATOM 0 H ILE A 14 -22.632 6.809 13.746 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.951 5.171 12.976 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.013 5.153 12.141 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.447 6.233 10.651 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.427 7.247 11.652 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.830 3.815 10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.149 2.981 11.758 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.470 3.820 10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -22.690 7.329 9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.430 6.594 10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.466 5.564 9.286 1.00 0.00 H new ATOM 239 N GLY A 15 -22.396 3.915 14.654 1.00 0.00 N ATOM 240 CA GLY A 15 -22.015 2.742 15.489 1.00 0.00 C ATOM 241 C GLY A 15 -21.793 1.527 14.588 1.00 0.00 C ATOM 242 O GLY A 15 -21.729 1.640 13.380 1.00 0.00 O ATOM 0 H GLY A 15 -21.700 4.659 14.605 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.108 2.962 16.052 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.798 2.530 16.217 1.00 0.00 H new ATOM 246 N TYR A 16 -21.674 0.364 15.165 1.00 0.00 N ATOM 247 CA TYR A 16 -21.454 -0.857 14.340 1.00 0.00 C ATOM 248 C TYR A 16 -22.794 -1.545 14.072 1.00 0.00 C ATOM 249 O TYR A 16 -23.706 -1.485 14.873 1.00 0.00 O ATOM 250 CB TYR A 16 -20.530 -1.818 15.091 1.00 0.00 C ATOM 251 CG TYR A 16 -19.640 -2.533 14.103 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.173 -3.523 13.268 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.280 -2.208 14.021 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.348 -4.187 12.352 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.455 -2.872 13.105 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.989 -3.861 12.271 1.00 0.00 C ATOM 257 OH TYR A 16 -17.175 -4.515 11.369 1.00 0.00 O ATOM 0 H TYR A 16 -21.719 0.206 16.172 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.996 -0.575 13.392 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.924 -1.269 15.812 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -21.120 -2.541 15.655 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.221 -3.775 13.331 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.868 -1.445 14.665 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.760 -4.950 11.708 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.406 -2.621 13.042 1.00 0.00 H new ATOM 0 HH TYR A 16 -17.562 -5.389 11.153 1.00 0.00 H new ATOM 267 N LEU A 17 -22.919 -2.200 12.951 1.00 0.00 N ATOM 268 CA LEU A 17 -24.196 -2.895 12.629 1.00 0.00 C ATOM 269 C LEU A 17 -23.968 -4.408 12.667 1.00 0.00 C ATOM 270 O LEU A 17 -23.267 -4.960 11.844 1.00 0.00 O ATOM 271 CB LEU A 17 -24.662 -2.482 11.231 1.00 0.00 C ATOM 272 CG LEU A 17 -26.124 -2.892 11.034 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.230 -4.418 11.001 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.965 -2.349 12.190 1.00 0.00 C ATOM 0 H LEU A 17 -22.190 -2.284 12.243 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.958 -2.622 13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.556 -1.405 11.105 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.036 -2.955 10.474 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.490 -2.483 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.271 -4.707 10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.631 -4.807 10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.863 -4.829 11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -28.006 -2.640 12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.597 -2.757 13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.893 -1.262 12.213 1.00 0.00 H new ATOM 286 N CYS A 18 -24.554 -5.082 13.619 1.00 0.00 N ATOM 287 CA CYS A 18 -24.367 -6.557 13.708 1.00 0.00 C ATOM 288 C CYS A 18 -25.730 -7.242 13.803 1.00 0.00 C ATOM 289 O CYS A 18 -26.703 -6.653 14.232 1.00 0.00 O ATOM 290 CB CYS A 18 -23.542 -6.892 14.953 1.00 0.00 C ATOM 291 SG CYS A 18 -21.966 -6.004 14.891 1.00 0.00 S ATOM 0 H CYS A 18 -25.153 -4.675 14.337 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.845 -6.910 12.818 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -24.092 -6.615 15.852 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.364 -7.966 15.006 1.00 0.00 H new ATOM 296 N PRO A 19 -25.795 -8.517 13.396 1.00 0.00 N ATOM 297 CA PRO A 19 -27.034 -9.298 13.435 1.00 0.00 C ATOM 298 C PRO A 19 -27.431 -9.651 14.872 1.00 0.00 C ATOM 299 O PRO A 19 -26.663 -9.479 15.797 1.00 0.00 O ATOM 300 CB PRO A 19 -26.684 -10.568 12.661 1.00 0.00 C ATOM 301 CG PRO A 19 -25.202 -10.694 12.790 1.00 0.00 C ATOM 302 CD PRO A 19 -24.661 -9.293 12.868 1.00 0.00 C ATOM 0 HA PRO A 19 -27.878 -8.751 13.016 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.193 -11.438 13.076 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.985 -10.491 11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.937 -11.263 13.681 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.782 -11.225 11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.793 -9.234 13.525 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.346 -8.929 11.890 1.00 0.00 H new ATOM 310 N LYS A 20 -28.624 -10.142 15.066 1.00 0.00 N ATOM 311 CA LYS A 20 -29.063 -10.499 16.444 1.00 0.00 C ATOM 312 C LYS A 20 -28.720 -11.962 16.730 1.00 0.00 C ATOM 313 O LYS A 20 -28.732 -12.402 17.861 1.00 0.00 O ATOM 314 CB LYS A 20 -30.574 -10.292 16.569 1.00 0.00 C ATOM 315 CG LYS A 20 -30.897 -8.803 16.436 1.00 0.00 C ATOM 316 CD LYS A 20 -32.379 -8.574 16.741 1.00 0.00 C ATOM 317 CE LYS A 20 -32.742 -7.119 16.439 1.00 0.00 C ATOM 318 NZ LYS A 20 -32.893 -6.370 17.719 1.00 0.00 N ATOM 0 H LYS A 20 -29.312 -10.311 14.332 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.549 -9.861 17.164 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.095 -10.858 15.797 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.925 -10.667 17.530 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.280 -8.223 17.122 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.664 -8.458 15.429 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.993 -9.245 16.141 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.586 -8.802 17.787 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -31.967 -6.659 15.825 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.669 -7.075 15.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.140 -5.380 17.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -33.647 -6.805 18.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -31.998 -6.402 18.247 1.00 0.00 H new ATOM 332 N ASP A 21 -28.411 -12.719 15.712 1.00 0.00 N ATOM 333 CA ASP A 21 -28.065 -14.152 15.931 1.00 0.00 C ATOM 334 C ASP A 21 -26.686 -14.246 16.584 1.00 0.00 C ATOM 335 O ASP A 21 -25.697 -13.806 16.033 1.00 0.00 O ATOM 336 CB ASP A 21 -28.039 -14.880 14.586 1.00 0.00 C ATOM 337 CG ASP A 21 -27.971 -16.390 14.826 1.00 0.00 C ATOM 338 OD1 ASP A 21 -27.998 -16.790 15.979 1.00 0.00 O ATOM 339 OD2 ASP A 21 -27.892 -17.122 13.852 1.00 0.00 O ATOM 0 H ASP A 21 -28.383 -12.408 14.741 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.810 -14.612 16.581 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.930 -14.632 14.009 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.179 -14.555 14.001 1.00 0.00 H new ATOM 344 N LEU A 22 -26.610 -14.816 17.757 1.00 0.00 N ATOM 345 CA LEU A 22 -25.291 -14.933 18.439 1.00 0.00 C ATOM 346 C LEU A 22 -24.510 -16.109 17.850 1.00 0.00 C ATOM 347 O LEU A 22 -24.887 -17.255 17.998 1.00 0.00 O ATOM 348 CB LEU A 22 -25.503 -15.168 19.934 1.00 0.00 C ATOM 349 CG LEU A 22 -24.149 -15.406 20.604 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.244 -14.196 20.363 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.347 -15.602 22.107 1.00 0.00 C ATOM 0 H LEU A 22 -27.402 -15.204 18.270 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.730 -14.011 18.291 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.998 -14.307 20.383 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.155 -16.027 20.090 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.687 -16.298 20.181 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.278 -14.363 20.840 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.101 -14.057 19.292 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.708 -13.305 20.786 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.381 -15.771 22.582 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.809 -14.711 22.532 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.992 -16.463 22.280 1.00 0.00 H new ATOM 363 N LYS A 23 -23.420 -15.836 17.186 1.00 0.00 N ATOM 364 CA LYS A 23 -22.612 -16.939 16.593 1.00 0.00 C ATOM 365 C LYS A 23 -21.160 -16.795 17.048 1.00 0.00 C ATOM 366 O LYS A 23 -20.461 -15.887 16.647 1.00 0.00 O ATOM 367 CB LYS A 23 -22.686 -16.865 15.067 1.00 0.00 C ATOM 368 CG LYS A 23 -23.951 -17.577 14.587 1.00 0.00 C ATOM 369 CD LYS A 23 -23.569 -18.711 13.633 1.00 0.00 C ATOM 370 CE LYS A 23 -23.139 -19.937 14.443 1.00 0.00 C ATOM 371 NZ LYS A 23 -22.048 -20.652 13.723 1.00 0.00 N ATOM 0 H LYS A 23 -23.054 -14.897 17.029 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.004 -17.901 16.922 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.695 -15.825 14.742 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.804 -17.329 14.626 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.502 -17.975 15.439 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.610 -16.870 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.415 -18.963 12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.758 -18.392 12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.797 -19.631 15.432 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.988 -20.604 14.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.756 -21.485 14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.390 -20.957 12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.235 -20.014 13.603 1.00 0.00 H new ATOM 385 N PRO A 24 -20.702 -17.715 17.909 1.00 0.00 N ATOM 386 CA PRO A 24 -19.331 -17.702 18.438 1.00 0.00 C ATOM 387 C PRO A 24 -18.287 -17.924 17.343 1.00 0.00 C ATOM 388 O PRO A 24 -18.305 -18.916 16.646 1.00 0.00 O ATOM 389 CB PRO A 24 -19.322 -18.867 19.430 1.00 0.00 C ATOM 390 CG PRO A 24 -20.411 -19.766 18.953 1.00 0.00 C ATOM 391 CD PRO A 24 -21.480 -18.853 18.428 1.00 0.00 C ATOM 0 HA PRO A 24 -19.075 -16.742 18.887 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.359 -19.377 19.435 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.507 -18.524 20.448 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.052 -20.439 18.174 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.789 -20.389 19.763 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.073 -19.329 17.647 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.173 -18.547 19.212 1.00 0.00 H new ATOM 399 N VAL A 25 -17.376 -17.004 17.188 1.00 0.00 N ATOM 400 CA VAL A 25 -16.326 -17.162 16.141 1.00 0.00 C ATOM 401 C VAL A 25 -14.951 -17.188 16.802 1.00 0.00 C ATOM 402 O VAL A 25 -14.752 -16.637 17.866 1.00 0.00 O ATOM 403 CB VAL A 25 -16.372 -15.980 15.174 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.769 -15.843 14.574 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.017 -14.701 15.933 1.00 0.00 C ATOM 0 H VAL A 25 -17.312 -16.149 17.741 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.506 -18.091 15.600 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.657 -16.147 14.368 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.788 -14.997 13.887 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.024 -16.755 14.034 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.493 -15.679 15.372 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.047 -13.852 15.250 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.735 -14.545 16.738 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.015 -14.793 16.353 1.00 0.00 H new ATOM 415 N CYS A 26 -13.990 -17.800 16.170 1.00 0.00 N ATOM 416 CA CYS A 26 -12.623 -17.828 16.755 1.00 0.00 C ATOM 417 C CYS A 26 -11.806 -16.704 16.121 1.00 0.00 C ATOM 418 O CYS A 26 -11.944 -16.415 14.951 1.00 0.00 O ATOM 419 CB CYS A 26 -11.949 -19.173 16.470 1.00 0.00 C ATOM 420 SG CYS A 26 -10.243 -19.123 17.074 1.00 0.00 S ATOM 0 H CYS A 26 -14.092 -18.281 15.276 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.684 -17.694 17.835 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.497 -19.979 16.958 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.963 -19.381 15.400 1.00 0.00 H new ATOM 425 N GLY A 27 -10.963 -16.062 16.876 1.00 0.00 N ATOM 426 CA GLY A 27 -10.148 -14.957 16.301 1.00 0.00 C ATOM 427 C GLY A 27 -8.783 -15.505 15.886 1.00 0.00 C ATOM 428 O GLY A 27 -8.192 -16.310 16.577 1.00 0.00 O ATOM 0 H GLY A 27 -10.802 -16.253 17.865 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.657 -14.524 15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.026 -14.159 17.034 1.00 0.00 H new ATOM 432 N ASP A 28 -8.278 -15.079 14.763 1.00 0.00 N ATOM 433 CA ASP A 28 -6.953 -15.585 14.310 1.00 0.00 C ATOM 434 C ASP A 28 -5.855 -15.042 15.228 1.00 0.00 C ATOM 435 O ASP A 28 -4.703 -15.413 15.119 1.00 0.00 O ATOM 436 CB ASP A 28 -6.695 -15.127 12.875 1.00 0.00 C ATOM 437 CG ASP A 28 -5.405 -15.769 12.359 1.00 0.00 C ATOM 438 OD1 ASP A 28 -4.906 -16.663 13.023 1.00 0.00 O ATOM 439 OD2 ASP A 28 -4.939 -15.356 11.310 1.00 0.00 O ATOM 0 H ASP A 28 -8.723 -14.405 14.141 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.949 -16.674 14.348 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.533 -15.406 12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.613 -14.041 12.838 1.00 0.00 H new ATOM 444 N ASP A 29 -6.200 -14.168 16.134 1.00 0.00 N ATOM 445 CA ASP A 29 -5.175 -13.606 17.057 1.00 0.00 C ATOM 446 C ASP A 29 -5.093 -14.470 18.319 1.00 0.00 C ATOM 447 O ASP A 29 -4.331 -14.192 19.224 1.00 0.00 O ATOM 448 CB ASP A 29 -5.561 -12.177 17.441 1.00 0.00 C ATOM 449 CG ASP A 29 -5.197 -11.229 16.297 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.821 -11.719 15.245 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.298 -10.029 16.493 1.00 0.00 O ATOM 0 H ASP A 29 -7.148 -13.819 16.274 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.205 -13.598 16.559 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.629 -12.120 17.649 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.042 -11.881 18.353 1.00 0.00 H new ATOM 456 N GLY A 30 -5.871 -15.517 18.389 1.00 0.00 N ATOM 457 CA GLY A 30 -5.832 -16.394 19.593 1.00 0.00 C ATOM 458 C GLY A 30 -6.935 -15.977 20.569 1.00 0.00 C ATOM 459 O GLY A 30 -6.845 -16.211 21.757 1.00 0.00 O ATOM 0 H GLY A 30 -6.531 -15.802 17.665 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.966 -17.436 19.301 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.858 -16.321 20.077 1.00 0.00 H new ATOM 463 N GLN A 31 -7.973 -15.360 20.077 1.00 0.00 N ATOM 464 CA GLN A 31 -9.081 -14.928 20.978 1.00 0.00 C ATOM 465 C GLN A 31 -10.419 -15.362 20.377 1.00 0.00 C ATOM 466 O GLN A 31 -10.505 -15.696 19.215 1.00 0.00 O ATOM 467 CB GLN A 31 -9.058 -13.405 21.117 1.00 0.00 C ATOM 468 CG GLN A 31 -7.934 -12.995 22.070 1.00 0.00 C ATOM 469 CD GLN A 31 -7.794 -11.471 22.064 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.533 -10.784 21.389 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.867 -10.910 22.794 1.00 0.00 N ATOM 0 H GLN A 31 -8.103 -15.136 19.091 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.954 -15.386 21.959 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.908 -12.943 20.141 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.017 -13.049 21.495 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.150 -13.347 23.078 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.996 -13.459 21.765 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.246 -11.487 23.361 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.764 -9.895 22.797 1.00 0.00 H new ATOM 480 N THR A 32 -11.466 -15.357 21.157 1.00 0.00 N ATOM 481 CA THR A 32 -12.795 -15.767 20.619 1.00 0.00 C ATOM 482 C THR A 32 -13.786 -14.615 20.783 1.00 0.00 C ATOM 483 O THR A 32 -13.679 -13.816 21.693 1.00 0.00 O ATOM 484 CB THR A 32 -13.306 -16.990 21.384 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.269 -17.956 21.479 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.502 -17.591 20.643 1.00 0.00 C ATOM 0 H THR A 32 -11.459 -15.088 22.141 1.00 0.00 H new ATOM 0 HA THR A 32 -12.696 -16.017 19.563 1.00 0.00 H new ATOM 0 HB THR A 32 -13.614 -16.691 22.386 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.595 -18.739 21.970 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.867 -18.462 21.187 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.297 -16.848 20.572 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.196 -17.891 19.641 1.00 0.00 H new ATOM 494 N TYR A 33 -14.748 -14.522 19.909 1.00 0.00 N ATOM 495 CA TYR A 33 -15.744 -13.421 20.013 1.00 0.00 C ATOM 496 C TYR A 33 -17.154 -14.010 19.960 1.00 0.00 C ATOM 497 O TYR A 33 -17.466 -14.824 19.114 1.00 0.00 O ATOM 498 CB TYR A 33 -15.539 -12.450 18.850 1.00 0.00 C ATOM 499 CG TYR A 33 -14.072 -12.104 18.752 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.506 -11.197 19.655 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.277 -12.695 17.764 1.00 0.00 C ATOM 502 CE1 TYR A 33 -12.144 -10.880 19.569 1.00 0.00 C ATOM 503 CE2 TYR A 33 -11.917 -12.377 17.677 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.350 -11.469 18.580 1.00 0.00 C ATOM 505 OH TYR A 33 -10.009 -11.157 18.495 1.00 0.00 O ATOM 0 H TYR A 33 -14.888 -15.161 19.127 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.615 -12.888 20.955 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.883 -12.900 17.919 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.129 -11.547 19.005 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.119 -10.741 20.418 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.713 -13.397 17.068 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.707 -10.181 20.267 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.304 -12.832 16.913 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.642 -11.045 19.397 1.00 0.00 H new ATOM 515 N ASN A 34 -18.004 -13.613 20.866 1.00 0.00 N ATOM 516 CA ASN A 34 -19.389 -14.159 20.876 1.00 0.00 C ATOM 517 C ASN A 34 -20.016 -14.014 19.487 1.00 0.00 C ATOM 518 O ASN A 34 -20.087 -14.958 18.731 1.00 0.00 O ATOM 519 CB ASN A 34 -20.233 -13.407 21.911 1.00 0.00 C ATOM 520 CG ASN A 34 -19.413 -13.206 23.184 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.781 -14.124 23.666 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.399 -12.033 23.754 1.00 0.00 N ATOM 0 H ASN A 34 -17.799 -12.934 21.599 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.356 -15.216 21.141 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.546 -12.443 21.510 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -21.140 -13.969 22.134 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.857 -11.886 24.605 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.930 -11.262 23.348 1.00 0.00 H new ATOM 529 N ASN A 35 -20.475 -12.844 19.147 1.00 0.00 N ATOM 530 CA ASN A 35 -21.100 -12.646 17.809 1.00 0.00 C ATOM 531 C ASN A 35 -20.011 -12.428 16.754 1.00 0.00 C ATOM 532 O ASN A 35 -18.969 -11.868 17.036 1.00 0.00 O ATOM 533 CB ASN A 35 -22.029 -11.427 17.875 1.00 0.00 C ATOM 534 CG ASN A 35 -22.465 -11.014 16.470 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.656 -10.596 15.668 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.724 -11.112 16.137 1.00 0.00 N ATOM 0 H ASN A 35 -20.445 -12.013 19.738 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.676 -13.529 17.532 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.905 -11.661 18.480 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.517 -10.597 18.363 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.027 -10.837 15.203 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.404 -11.463 16.811 1.00 0.00 H new ATOM 543 N PRO A 36 -20.258 -12.879 15.512 1.00 0.00 N ATOM 544 CA PRO A 36 -19.299 -12.731 14.405 1.00 0.00 C ATOM 545 C PRO A 36 -19.060 -11.261 14.060 1.00 0.00 C ATOM 546 O PRO A 36 -17.938 -10.797 14.026 1.00 0.00 O ATOM 547 CB PRO A 36 -19.982 -13.453 13.243 1.00 0.00 C ATOM 548 CG PRO A 36 -21.432 -13.409 13.585 1.00 0.00 C ATOM 549 CD PRO A 36 -21.488 -13.563 15.077 1.00 0.00 C ATOM 0 HA PRO A 36 -18.317 -13.136 14.649 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.782 -12.957 12.293 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.626 -14.479 13.148 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.883 -12.468 13.269 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.979 -14.209 13.086 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.381 -13.102 15.500 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.498 -14.611 15.377 1.00 0.00 H new ATOM 557 N CYS A 37 -20.104 -10.516 13.822 1.00 0.00 N ATOM 558 CA CYS A 37 -19.921 -9.075 13.505 1.00 0.00 C ATOM 559 C CYS A 37 -19.273 -8.401 14.714 1.00 0.00 C ATOM 560 O CYS A 37 -18.533 -7.445 14.589 1.00 0.00 O ATOM 561 CB CYS A 37 -21.282 -8.436 13.225 1.00 0.00 C ATOM 562 SG CYS A 37 -21.108 -6.634 13.173 1.00 0.00 S ATOM 0 H CYS A 37 -21.070 -10.842 13.834 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.289 -8.957 12.625 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.678 -8.801 12.277 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.995 -8.720 13.999 1.00 0.00 H new ATOM 567 N MET A 38 -19.543 -8.911 15.885 1.00 0.00 N ATOM 568 CA MET A 38 -18.946 -8.327 17.117 1.00 0.00 C ATOM 569 C MET A 38 -17.431 -8.527 17.080 1.00 0.00 C ATOM 570 O MET A 38 -16.692 -7.893 17.808 1.00 0.00 O ATOM 571 CB MET A 38 -19.531 -9.033 18.342 1.00 0.00 C ATOM 572 CG MET A 38 -20.844 -8.357 18.738 1.00 0.00 C ATOM 573 SD MET A 38 -21.417 -9.027 20.318 1.00 0.00 S ATOM 574 CE MET A 38 -23.139 -8.490 20.175 1.00 0.00 C ATOM 0 H MET A 38 -20.155 -9.712 16.041 1.00 0.00 H new ATOM 0 HA MET A 38 -19.171 -7.262 17.173 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.704 -10.086 18.121 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.824 -8.993 19.171 1.00 0.00 H new ATOM 0 HG2 MET A 38 -20.700 -7.280 18.819 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.597 -8.521 17.967 1.00 0.00 H new ATOM 0 HE1 MET A 38 -23.692 -8.803 21.060 1.00 0.00 H new ATOM 0 HE2 MET A 38 -23.176 -7.404 20.089 1.00 0.00 H new ATOM 0 HE3 MET A 38 -23.588 -8.939 19.289 1.00 0.00 H new ATOM 584 N LEU A 39 -16.962 -9.401 16.231 1.00 0.00 N ATOM 585 CA LEU A 39 -15.496 -9.637 16.142 1.00 0.00 C ATOM 586 C LEU A 39 -14.831 -8.399 15.543 1.00 0.00 C ATOM 587 O LEU A 39 -13.907 -7.845 16.108 1.00 0.00 O ATOM 588 CB LEU A 39 -15.223 -10.851 15.249 1.00 0.00 C ATOM 589 CG LEU A 39 -13.713 -11.033 15.080 1.00 0.00 C ATOM 590 CD1 LEU A 39 -13.394 -12.521 14.910 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.246 -10.277 13.841 1.00 0.00 C ATOM 0 H LEU A 39 -17.532 -9.961 15.596 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.092 -9.829 17.136 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.660 -11.746 15.691 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.694 -10.713 14.276 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.201 -10.646 15.961 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.319 -12.651 14.790 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.729 -13.068 15.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.907 -12.905 14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.170 -10.406 13.720 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.760 -10.667 12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.474 -9.217 13.954 1.00 0.00 H new ATOM 603 N CYS A 40 -15.299 -7.949 14.410 1.00 0.00 N ATOM 604 CA CYS A 40 -14.692 -6.737 13.793 1.00 0.00 C ATOM 605 C CYS A 40 -14.639 -5.636 14.849 1.00 0.00 C ATOM 606 O CYS A 40 -13.677 -4.903 14.954 1.00 0.00 O ATOM 607 CB CYS A 40 -15.540 -6.274 12.608 1.00 0.00 C ATOM 608 SG CYS A 40 -15.958 -7.695 11.567 1.00 0.00 S ATOM 0 H CYS A 40 -16.070 -8.366 13.889 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.688 -6.965 13.435 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.450 -5.792 12.966 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.994 -5.532 12.025 1.00 0.00 H new ATOM 613 N HIS A 41 -15.661 -5.526 15.648 1.00 0.00 N ATOM 614 CA HIS A 41 -15.657 -4.490 16.713 1.00 0.00 C ATOM 615 C HIS A 41 -14.335 -4.582 17.468 1.00 0.00 C ATOM 616 O HIS A 41 -13.685 -3.593 17.736 1.00 0.00 O ATOM 617 CB HIS A 41 -16.810 -4.761 17.673 1.00 0.00 C ATOM 618 CG HIS A 41 -17.287 -3.467 18.273 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.821 -2.446 17.503 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.317 -3.016 19.569 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.148 -1.440 18.335 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.861 -1.735 19.606 1.00 0.00 N ATOM 0 H HIS A 41 -16.498 -6.108 15.609 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.772 -3.496 16.280 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.628 -5.251 17.145 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.487 -5.441 18.461 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.944 -2.455 16.490 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.971 -3.570 20.429 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.589 -0.508 18.014 1.00 0.00 H new ATOM 630 N GLU A 42 -13.931 -5.778 17.798 1.00 0.00 N ATOM 631 CA GLU A 42 -12.647 -5.958 18.520 1.00 0.00 C ATOM 632 C GLU A 42 -11.511 -5.440 17.639 1.00 0.00 C ATOM 633 O GLU A 42 -10.441 -5.115 18.113 1.00 0.00 O ATOM 634 CB GLU A 42 -12.439 -7.445 18.810 1.00 0.00 C ATOM 635 CG GLU A 42 -13.270 -7.844 20.034 1.00 0.00 C ATOM 636 CD GLU A 42 -12.931 -6.923 21.207 1.00 0.00 C ATOM 637 OE1 GLU A 42 -11.816 -6.430 21.245 1.00 0.00 O ATOM 638 OE2 GLU A 42 -13.792 -6.728 22.048 1.00 0.00 O ATOM 0 H GLU A 42 -14.439 -6.639 17.596 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.662 -5.407 19.460 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.734 -8.040 17.946 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.383 -7.648 18.991 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.333 -7.778 19.802 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.066 -8.881 20.302 1.00 0.00 H new ATOM 645 N ASN A 43 -11.743 -5.352 16.356 1.00 0.00 N ATOM 646 CA ASN A 43 -10.675 -4.842 15.444 1.00 0.00 C ATOM 647 C ASN A 43 -10.591 -3.320 15.576 1.00 0.00 C ATOM 648 O ASN A 43 -9.540 -2.731 15.427 1.00 0.00 O ATOM 649 CB ASN A 43 -10.999 -5.199 13.989 1.00 0.00 C ATOM 650 CG ASN A 43 -10.855 -6.707 13.776 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.028 -7.145 13.002 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.630 -7.527 14.430 1.00 0.00 N ATOM 0 H ASN A 43 -12.619 -5.609 15.902 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.725 -5.300 15.719 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.014 -4.884 13.746 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.329 -4.663 13.317 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.541 -8.534 14.291 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.325 -7.162 15.081 1.00 0.00 H new ATOM 659 N LEU A 44 -11.693 -2.679 15.855 1.00 0.00 N ATOM 660 CA LEU A 44 -11.681 -1.195 15.999 1.00 0.00 C ATOM 661 C LEU A 44 -10.938 -0.815 17.281 1.00 0.00 C ATOM 662 O LEU A 44 -10.239 0.178 17.336 1.00 0.00 O ATOM 663 CB LEU A 44 -13.120 -0.682 16.075 1.00 0.00 C ATOM 664 CG LEU A 44 -13.144 0.825 15.807 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.406 1.561 16.927 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.460 1.114 14.470 1.00 0.00 C ATOM 0 H LEU A 44 -12.603 -3.120 15.990 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.179 -0.749 15.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.741 -1.201 15.345 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.540 -0.893 17.058 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.178 1.169 15.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.425 2.633 16.732 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.894 1.356 17.880 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.372 1.218 16.968 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.476 2.187 14.277 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.427 0.768 14.507 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.989 0.594 13.671 1.00 0.00 H new ATOM 678 N ILE A 45 -11.086 -1.596 18.314 1.00 0.00 N ATOM 679 CA ILE A 45 -10.391 -1.281 19.595 1.00 0.00 C ATOM 680 C ILE A 45 -8.905 -1.617 19.467 1.00 0.00 C ATOM 681 O ILE A 45 -8.046 -0.811 19.764 1.00 0.00 O ATOM 682 CB ILE A 45 -11.001 -2.111 20.727 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.525 -2.133 20.584 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.622 -1.492 22.075 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.144 -2.863 21.779 1.00 0.00 C ATOM 0 H ILE A 45 -11.659 -2.440 18.328 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.508 -0.220 19.816 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.619 -3.131 20.675 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.910 -1.115 20.528 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.806 -2.631 19.656 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.056 -2.083 22.882 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.537 -1.480 22.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.003 -0.472 22.127 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.229 -2.877 21.675 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.769 -3.886 21.814 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.875 -2.346 22.700 1.00 0.00 H new ATOM 697 N ARG A 46 -8.596 -2.808 19.033 1.00 0.00 N ATOM 698 CA ARG A 46 -7.165 -3.206 18.891 1.00 0.00 C ATOM 699 C ARG A 46 -6.601 -2.657 17.579 1.00 0.00 C ATOM 700 O ARG A 46 -5.457 -2.257 17.503 1.00 0.00 O ATOM 701 CB ARG A 46 -7.060 -4.733 18.889 1.00 0.00 C ATOM 702 CG ARG A 46 -7.519 -5.280 20.243 1.00 0.00 C ATOM 703 CD ARG A 46 -7.275 -6.790 20.289 1.00 0.00 C ATOM 704 NE ARG A 46 -7.871 -7.352 21.535 1.00 0.00 N ATOM 705 CZ ARG A 46 -9.146 -7.205 21.772 1.00 0.00 C ATOM 706 NH1 ARG A 46 -9.970 -8.192 21.550 1.00 0.00 N ATOM 707 NH2 ARG A 46 -9.597 -6.070 22.234 1.00 0.00 N ATOM 0 H ARG A 46 -9.273 -3.524 18.770 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.594 -2.799 19.726 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.674 -5.149 18.090 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.032 -5.037 18.692 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.976 -4.788 21.050 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.577 -5.066 20.394 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.717 -7.267 19.414 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.205 -6.997 20.259 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.282 -7.851 22.202 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.618 -9.079 21.191 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.966 -8.076 21.736 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.953 -5.299 22.409 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.593 -5.955 22.419 1.00 0.00 H new ATOM 721 N GLN A 47 -7.395 -2.638 16.546 1.00 0.00 N ATOM 722 CA GLN A 47 -6.909 -2.120 15.235 1.00 0.00 C ATOM 723 C GLN A 47 -5.766 -3.003 14.727 1.00 0.00 C ATOM 724 O GLN A 47 -4.844 -2.534 14.090 1.00 0.00 O ATOM 725 CB GLN A 47 -6.407 -0.684 15.405 1.00 0.00 C ATOM 726 CG GLN A 47 -7.565 0.214 15.848 1.00 0.00 C ATOM 727 CD GLN A 47 -7.057 1.647 16.018 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.867 1.880 16.076 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.917 2.627 16.100 1.00 0.00 N ATOM 0 H GLN A 47 -8.363 -2.960 16.552 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.727 -2.135 14.515 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.606 -0.653 16.143 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.989 -0.320 14.466 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.366 0.185 15.109 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.984 -0.149 16.786 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.917 2.433 16.051 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.588 3.586 16.213 1.00 0.00 H new ATOM 738 N THR A 48 -5.821 -4.278 15.001 1.00 0.00 N ATOM 739 CA THR A 48 -4.737 -5.189 14.532 1.00 0.00 C ATOM 740 C THR A 48 -5.231 -5.992 13.326 1.00 0.00 C ATOM 741 O THR A 48 -4.568 -6.897 12.859 1.00 0.00 O ATOM 742 CB THR A 48 -4.353 -6.149 15.659 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.430 -7.042 15.906 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.045 -5.353 16.928 1.00 0.00 C ATOM 0 H THR A 48 -6.569 -4.728 15.529 1.00 0.00 H new ATOM 0 HA THR A 48 -3.867 -4.599 14.245 1.00 0.00 H new ATOM 0 HB THR A 48 -3.470 -6.717 15.367 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.077 -7.937 16.093 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.772 -6.039 17.730 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.218 -4.670 16.737 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.926 -4.783 17.223 1.00 0.00 H new ATOM 752 N ASN A 49 -6.390 -5.672 12.819 1.00 0.00 N ATOM 753 CA ASN A 49 -6.925 -6.419 11.646 1.00 0.00 C ATOM 754 C ASN A 49 -7.162 -7.878 12.036 1.00 0.00 C ATOM 755 O ASN A 49 -6.771 -8.791 11.337 1.00 0.00 O ATOM 756 CB ASN A 49 -5.921 -6.358 10.494 1.00 0.00 C ATOM 757 CG ASN A 49 -5.673 -4.899 10.105 1.00 0.00 C ATOM 758 OD1 ASN A 49 -6.446 -4.027 10.450 1.00 0.00 O ATOM 759 ND2 ASN A 49 -4.622 -4.597 9.396 1.00 0.00 N ATOM 0 H ASN A 49 -6.990 -4.924 13.167 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.865 -5.967 11.330 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.984 -6.830 10.790 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.302 -6.914 9.637 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.447 -3.628 9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.974 -5.330 9.107 1.00 0.00 H new ATOM 766 N THR A 50 -7.804 -8.101 13.147 1.00 0.00 N ATOM 767 CA THR A 50 -8.074 -9.499 13.584 1.00 0.00 C ATOM 768 C THR A 50 -9.285 -10.042 12.826 1.00 0.00 C ATOM 769 O THR A 50 -10.347 -9.451 12.827 1.00 0.00 O ATOM 770 CB THR A 50 -8.366 -9.520 15.086 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.273 -8.943 15.788 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.564 -10.966 15.547 1.00 0.00 C ATOM 0 H THR A 50 -8.154 -7.375 13.773 1.00 0.00 H new ATOM 0 HA THR A 50 -7.202 -10.119 13.375 1.00 0.00 H new ATOM 0 HB THR A 50 -9.271 -8.948 15.289 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.440 -9.380 15.513 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.772 -10.982 16.617 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.402 -11.408 15.008 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.659 -11.539 15.345 1.00 0.00 H new ATOM 780 N HIS A 51 -9.139 -11.164 12.179 1.00 0.00 N ATOM 781 CA HIS A 51 -10.286 -11.741 11.427 1.00 0.00 C ATOM 782 C HIS A 51 -10.780 -13.000 12.139 1.00 0.00 C ATOM 783 O HIS A 51 -10.361 -13.310 13.239 1.00 0.00 O ATOM 784 CB HIS A 51 -9.841 -12.104 10.010 1.00 0.00 C ATOM 785 CG HIS A 51 -8.872 -11.070 9.507 1.00 0.00 C ATOM 786 ND1 HIS A 51 -7.500 -11.207 9.649 1.00 0.00 N ATOM 787 CD2 HIS A 51 -9.062 -9.875 8.858 1.00 0.00 C ATOM 788 CE1 HIS A 51 -6.923 -10.124 9.097 1.00 0.00 C ATOM 789 NE2 HIS A 51 -7.831 -9.280 8.600 1.00 0.00 N ATOM 0 H HIS A 51 -8.276 -11.706 12.139 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.091 -11.007 11.379 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.373 -13.088 10.006 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.706 -12.159 9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.022 -9.460 8.589 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.857 -9.958 9.060 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.659 -8.390 8.132 1.00 0.00 H new ATOM 797 N ILE A 52 -11.664 -13.729 11.519 1.00 0.00 N ATOM 798 CA ILE A 52 -12.184 -14.969 12.159 1.00 0.00 C ATOM 799 C ILE A 52 -11.263 -16.142 11.825 1.00 0.00 C ATOM 800 O ILE A 52 -10.973 -16.412 10.676 1.00 0.00 O ATOM 801 CB ILE A 52 -13.591 -15.264 11.641 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.519 -14.099 11.989 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.111 -16.545 12.297 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.947 -14.441 11.561 1.00 0.00 C ATOM 0 H ILE A 52 -12.049 -13.521 10.598 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.218 -14.829 13.239 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.563 -15.392 10.559 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.486 -13.901 13.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.185 -13.191 11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.115 -16.760 11.931 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.449 -17.375 12.050 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.140 -16.414 13.379 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.610 -13.612 11.808 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.972 -14.617 10.486 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.278 -15.338 12.084 1.00 0.00 H new ATOM 816 N ARG A 53 -10.803 -16.839 12.823 1.00 0.00 N ATOM 817 CA ARG A 53 -9.903 -17.999 12.579 1.00 0.00 C ATOM 818 C ARG A 53 -10.738 -19.205 12.162 1.00 0.00 C ATOM 819 O ARG A 53 -10.424 -19.902 11.218 1.00 0.00 O ATOM 820 CB ARG A 53 -9.159 -18.334 13.871 1.00 0.00 C ATOM 821 CG ARG A 53 -8.144 -19.443 13.600 1.00 0.00 C ATOM 822 CD ARG A 53 -7.256 -19.637 14.830 1.00 0.00 C ATOM 823 NE ARG A 53 -6.286 -20.738 14.574 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.525 -20.704 13.515 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.662 -21.607 12.583 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.624 -19.768 13.389 1.00 0.00 N ATOM 0 H ARG A 53 -11.013 -16.654 13.804 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.191 -17.752 11.791 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.652 -17.447 14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.865 -18.652 14.638 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.661 -20.373 13.362 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.533 -19.187 12.734 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.723 -18.714 15.056 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.868 -19.873 15.700 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.217 -21.519 15.227 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.364 -22.340 12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.067 -21.580 11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.515 -19.063 14.118 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.029 -19.741 12.561 1.00 0.00 H new ATOM 840 N SER A 54 -11.798 -19.454 12.871 1.00 0.00 N ATOM 841 CA SER A 54 -12.669 -20.613 12.542 1.00 0.00 C ATOM 842 C SER A 54 -14.060 -20.375 13.132 1.00 0.00 C ATOM 843 O SER A 54 -14.200 -19.897 14.239 1.00 0.00 O ATOM 844 CB SER A 54 -12.066 -21.882 13.147 1.00 0.00 C ATOM 845 OG SER A 54 -12.120 -21.802 14.563 1.00 0.00 O ATOM 0 H SER A 54 -12.102 -18.900 13.672 1.00 0.00 H new ATOM 0 HA SER A 54 -12.745 -20.727 11.461 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.613 -22.759 12.800 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.034 -22.000 12.818 1.00 0.00 H new ATOM 0 HG SER A 54 -11.735 -22.615 14.952 1.00 0.00 H new ATOM 851 N THR A 55 -15.091 -20.701 12.403 1.00 0.00 N ATOM 852 CA THR A 55 -16.467 -20.486 12.930 1.00 0.00 C ATOM 853 C THR A 55 -16.620 -21.211 14.269 1.00 0.00 C ATOM 854 O THR A 55 -15.973 -22.206 14.525 1.00 0.00 O ATOM 855 CB THR A 55 -17.490 -21.031 11.931 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.471 -22.452 11.965 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.138 -20.547 10.523 1.00 0.00 C ATOM 0 H THR A 55 -15.040 -21.106 11.468 1.00 0.00 H new ATOM 0 HA THR A 55 -16.637 -19.419 13.074 1.00 0.00 H new ATOM 0 HB THR A 55 -18.485 -20.674 12.197 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.127 -22.803 11.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.867 -20.936 9.812 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.152 -19.457 10.499 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.143 -20.903 10.254 1.00 0.00 H new ATOM 865 N GLY A 56 -17.467 -20.713 15.127 1.00 0.00 N ATOM 866 CA GLY A 56 -17.656 -21.366 16.452 1.00 0.00 C ATOM 867 C GLY A 56 -16.453 -21.054 17.337 1.00 0.00 C ATOM 868 O GLY A 56 -15.406 -20.661 16.864 1.00 0.00 O ATOM 0 H GLY A 56 -18.036 -19.882 14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.572 -21.007 16.921 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.763 -22.444 16.329 1.00 0.00 H new ATOM 872 N LYS A 57 -16.596 -21.225 18.616 1.00 0.00 N ATOM 873 CA LYS A 57 -15.457 -20.938 19.531 1.00 0.00 C ATOM 874 C LYS A 57 -14.272 -21.829 19.152 1.00 0.00 C ATOM 875 O LYS A 57 -14.441 -22.961 18.743 1.00 0.00 O ATOM 876 CB LYS A 57 -15.873 -21.223 20.974 1.00 0.00 C ATOM 877 CG LYS A 57 -14.817 -20.668 21.933 1.00 0.00 C ATOM 878 CD LYS A 57 -15.189 -21.041 23.370 1.00 0.00 C ATOM 879 CE LYS A 57 -14.213 -20.374 24.338 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.790 -19.086 24.818 1.00 0.00 N ATOM 0 H LYS A 57 -17.449 -21.550 19.070 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.171 -19.890 19.442 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.841 -20.767 21.180 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.987 -22.296 21.125 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.836 -21.071 21.683 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.752 -19.585 21.832 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.208 -20.722 23.587 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.160 -22.123 23.495 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.015 -21.033 25.183 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.259 -20.195 23.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.126 -18.632 25.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.957 -18.457 24.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.690 -19.269 25.306 1.00 0.00 H new ATOM 894 N CYS A 58 -13.076 -21.329 19.283 1.00 0.00 N ATOM 895 CA CYS A 58 -11.883 -22.149 18.926 1.00 0.00 C ATOM 896 C CYS A 58 -11.829 -23.388 19.819 1.00 0.00 C ATOM 897 O CYS A 58 -11.436 -24.455 19.394 1.00 0.00 O ATOM 898 CB CYS A 58 -10.617 -21.317 19.128 1.00 0.00 C ATOM 899 SG CYS A 58 -9.815 -21.045 17.528 1.00 0.00 S ATOM 0 H CYS A 58 -12.872 -20.389 19.621 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.952 -22.458 17.883 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.866 -20.361 19.589 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.935 -21.830 19.806 1.00 0.00 H new ATOM 904 N GLU A 59 -12.231 -23.254 21.051 1.00 0.00 N ATOM 905 CA GLU A 59 -12.215 -24.426 21.973 1.00 0.00 C ATOM 906 C GLU A 59 -13.461 -25.265 21.714 1.00 0.00 C ATOM 907 O GLU A 59 -13.508 -26.444 22.007 1.00 0.00 O ATOM 908 CB GLU A 59 -12.224 -23.945 23.425 1.00 0.00 C ATOM 909 CG GLU A 59 -11.390 -22.672 23.547 1.00 0.00 C ATOM 910 CD GLU A 59 -11.265 -22.286 25.023 1.00 0.00 C ATOM 911 OE1 GLU A 59 -12.217 -22.504 25.754 1.00 0.00 O ATOM 912 OE2 GLU A 59 -10.220 -21.778 25.396 1.00 0.00 O ATOM 0 H GLU A 59 -12.570 -22.384 21.461 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.317 -25.018 21.799 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.247 -23.754 23.749 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.822 -24.720 24.078 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.401 -22.829 23.116 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.857 -21.863 22.986 1.00 0.00 H new ATOM 919 N GLU A 60 -14.473 -24.659 21.162 1.00 0.00 N ATOM 920 CA GLU A 60 -15.725 -25.405 20.872 1.00 0.00 C ATOM 921 C GLU A 60 -15.442 -26.443 19.783 1.00 0.00 C ATOM 922 O GLU A 60 -16.182 -27.391 19.606 1.00 0.00 O ATOM 923 CB GLU A 60 -16.795 -24.418 20.393 1.00 0.00 C ATOM 924 CG GLU A 60 -17.894 -25.166 19.636 1.00 0.00 C ATOM 925 CD GLU A 60 -18.937 -24.167 19.132 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.619 -22.990 19.075 1.00 0.00 O ATOM 927 OE2 GLU A 60 -20.033 -24.594 18.813 1.00 0.00 O ATOM 0 H GLU A 60 -14.486 -23.674 20.898 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.081 -25.912 21.769 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.223 -23.891 21.246 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.344 -23.665 19.746 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.464 -25.714 18.797 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.365 -25.901 20.289 1.00 0.00 H new ATOM 934 N SER A 61 -14.378 -26.267 19.053 1.00 0.00 N ATOM 935 CA SER A 61 -14.043 -27.237 17.972 1.00 0.00 C ATOM 936 C SER A 61 -13.393 -28.483 18.579 1.00 0.00 C ATOM 937 O SER A 61 -13.446 -29.558 18.015 1.00 0.00 O ATOM 938 CB SER A 61 -13.071 -26.586 16.986 1.00 0.00 C ATOM 939 OG SER A 61 -11.828 -26.354 17.631 1.00 0.00 O ATOM 0 H SER A 61 -13.723 -25.492 19.157 1.00 0.00 H new ATOM 0 HA SER A 61 -14.956 -27.524 17.450 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.928 -27.232 16.119 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.483 -25.646 16.619 1.00 0.00 H new ATOM 0 HG SER A 61 -11.902 -25.567 18.210 1.00 0.00 H new ATOM 945 N SER A 62 -12.778 -28.349 19.721 1.00 0.00 N ATOM 946 CA SER A 62 -12.124 -29.528 20.357 1.00 0.00 C ATOM 947 C SER A 62 -13.194 -30.510 20.838 1.00 0.00 C ATOM 948 O SER A 62 -14.336 -30.148 21.042 1.00 0.00 O ATOM 949 CB SER A 62 -11.285 -29.062 21.549 1.00 0.00 C ATOM 950 OG SER A 62 -12.145 -28.670 22.608 1.00 0.00 O ATOM 0 H SER A 62 -12.700 -27.475 20.241 1.00 0.00 H new ATOM 0 HA SER A 62 -11.480 -30.023 19.630 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.626 -29.865 21.880 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.648 -28.227 21.255 1.00 0.00 H new ATOM 0 HG SER A 62 -12.503 -27.776 22.425 1.00 0.00 H new ATOM 956 N THR A 63 -12.834 -31.752 21.022 1.00 0.00 N ATOM 957 CA THR A 63 -13.831 -32.756 21.490 1.00 0.00 C ATOM 958 C THR A 63 -14.428 -32.301 22.824 1.00 0.00 C ATOM 959 O THR A 63 -13.814 -31.562 23.568 1.00 0.00 O ATOM 960 CB THR A 63 -13.142 -34.109 21.676 1.00 0.00 C ATOM 961 OG1 THR A 63 -12.366 -34.084 22.867 1.00 0.00 O ATOM 962 CG2 THR A 63 -12.232 -34.392 20.479 1.00 0.00 C ATOM 0 H THR A 63 -11.893 -32.114 20.868 1.00 0.00 H new ATOM 0 HA THR A 63 -14.626 -32.850 20.750 1.00 0.00 H new ATOM 0 HB THR A 63 -13.896 -34.893 21.748 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.925 -34.951 22.989 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.742 -35.356 20.614 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.827 -34.412 19.566 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.477 -33.609 20.403 1.00 0.00 H new ATOM 970 N PRO A 64 -15.653 -32.756 23.126 1.00 0.00 N ATOM 971 CA PRO A 64 -16.347 -32.402 24.372 1.00 0.00 C ATOM 972 C PRO A 64 -15.686 -33.047 25.593 1.00 0.00 C ATOM 973 O PRO A 64 -15.949 -32.678 26.720 1.00 0.00 O ATOM 974 CB PRO A 64 -17.750 -32.974 24.174 1.00 0.00 C ATOM 975 CG PRO A 64 -17.569 -34.082 23.193 1.00 0.00 C ATOM 976 CD PRO A 64 -16.458 -33.651 22.277 1.00 0.00 C ATOM 0 HA PRO A 64 -16.332 -31.328 24.558 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.165 -33.340 25.113 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.437 -32.217 23.795 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.317 -35.014 23.700 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.487 -34.261 22.634 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.876 -34.501 21.922 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.839 -33.135 21.396 1.00 0.00 H new ATOM 984 N GLY A 65 -14.829 -34.007 25.376 1.00 0.00 N ATOM 985 CA GLY A 65 -14.151 -34.674 26.524 1.00 0.00 C ATOM 986 C GLY A 65 -14.970 -35.891 26.960 1.00 0.00 C ATOM 987 O GLY A 65 -14.715 -36.486 27.989 1.00 0.00 O ATOM 0 H GLY A 65 -14.569 -34.358 24.454 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.145 -34.982 26.238 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.046 -33.976 27.354 1.00 0.00 H new ATOM 991 N THR A 66 -15.953 -36.265 26.187 1.00 0.00 N ATOM 992 CA THR A 66 -16.785 -37.444 26.560 1.00 0.00 C ATOM 993 C THR A 66 -16.733 -38.481 25.435 1.00 0.00 C ATOM 994 O THR A 66 -16.414 -38.169 24.305 1.00 0.00 O ATOM 995 CB THR A 66 -18.233 -36.998 26.776 1.00 0.00 C ATOM 996 OG1 THR A 66 -18.835 -36.726 25.519 1.00 0.00 O ATOM 997 CG2 THR A 66 -18.257 -35.737 27.641 1.00 0.00 C ATOM 0 H THR A 66 -16.216 -35.806 25.315 1.00 0.00 H new ATOM 0 HA THR A 66 -16.400 -37.885 27.479 1.00 0.00 H new ATOM 0 HB THR A 66 -18.787 -37.790 27.280 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.763 -36.442 25.655 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.289 -35.420 27.794 1.00 0.00 H new ATOM 0 HG22 THR A 66 -17.795 -35.949 28.606 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.704 -34.942 27.141 1.00 0.00 H new ATOM 1005 N THR A 67 -17.045 -39.712 25.736 1.00 0.00 N ATOM 1006 CA THR A 67 -17.012 -40.766 24.683 1.00 0.00 C ATOM 1007 C THR A 67 -18.207 -40.584 23.743 1.00 0.00 C ATOM 1008 O THR A 67 -18.249 -41.140 22.664 1.00 0.00 O ATOM 1009 CB THR A 67 -17.088 -42.146 25.341 1.00 0.00 C ATOM 1010 OG1 THR A 67 -18.368 -42.319 25.931 1.00 0.00 O ATOM 1011 CG2 THR A 67 -16.007 -42.261 26.417 1.00 0.00 C ATOM 0 H THR A 67 -17.321 -40.033 26.664 1.00 0.00 H new ATOM 0 HA THR A 67 -16.085 -40.684 24.115 1.00 0.00 H new ATOM 0 HB THR A 67 -16.929 -42.917 24.587 1.00 0.00 H new ATOM 0 HG1 THR A 67 -18.418 -43.203 26.351 1.00 0.00 H new ATOM 0 HG21 THR A 67 -16.062 -43.244 26.885 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.025 -42.130 25.962 1.00 0.00 H new ATOM 0 HG23 THR A 67 -16.162 -41.491 27.172 1.00 0.00 H new ATOM 1019 N ALA A 68 -19.176 -39.807 24.144 1.00 0.00 N ATOM 1020 CA ALA A 68 -20.366 -39.591 23.273 1.00 0.00 C ATOM 1021 C ALA A 68 -19.943 -38.834 22.013 1.00 0.00 C ATOM 1022 O ALA A 68 -20.524 -38.993 20.957 1.00 0.00 O ATOM 1023 CB ALA A 68 -21.412 -38.772 24.033 1.00 0.00 C ATOM 0 H ALA A 68 -19.195 -39.313 25.036 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.792 -40.554 22.993 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -22.283 -38.614 23.397 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.713 -39.310 24.932 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.987 -37.808 24.312 1.00 0.00 H new ATOM 1029 N ALA A 69 -18.934 -38.012 22.113 1.00 0.00 N ATOM 1030 CA ALA A 69 -18.475 -37.247 20.920 1.00 0.00 C ATOM 1031 C ALA A 69 -18.033 -38.223 19.826 1.00 0.00 C ATOM 1032 O ALA A 69 -17.457 -39.256 20.101 1.00 0.00 O ATOM 1033 CB ALA A 69 -17.298 -36.351 21.310 1.00 0.00 C ATOM 0 H ALA A 69 -18.408 -37.837 22.969 1.00 0.00 H new ATOM 0 HA ALA A 69 -19.293 -36.630 20.548 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -16.962 -35.791 20.437 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.612 -35.656 22.088 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.480 -36.967 21.683 1.00 0.00 H new ATOM 1039 N SER A 70 -18.300 -37.903 18.590 1.00 0.00 N ATOM 1040 CA SER A 70 -17.896 -38.814 17.481 1.00 0.00 C ATOM 1041 C SER A 70 -16.379 -39.005 17.504 1.00 0.00 C ATOM 1042 O SER A 70 -15.870 -40.056 17.168 1.00 0.00 O ATOM 1043 CB SER A 70 -18.312 -38.203 16.142 1.00 0.00 C ATOM 1044 OG SER A 70 -18.008 -39.109 15.092 1.00 0.00 O ATOM 0 H SER A 70 -18.780 -37.051 18.300 1.00 0.00 H new ATOM 0 HA SER A 70 -18.386 -39.780 17.608 1.00 0.00 H new ATOM 0 HB2 SER A 70 -19.379 -37.981 16.147 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.791 -37.259 15.984 1.00 0.00 H new ATOM 0 HG SER A 70 -18.276 -38.718 14.234 1.00 0.00 H new ATOM 1050 N MET A 71 -15.652 -37.996 17.897 1.00 0.00 N ATOM 1051 CA MET A 71 -14.168 -38.120 17.940 1.00 0.00 C ATOM 1052 C MET A 71 -13.773 -39.177 18.972 1.00 0.00 C ATOM 1053 O MET A 71 -14.487 -39.424 19.925 1.00 0.00 O ATOM 1054 CB MET A 71 -13.555 -36.772 18.327 1.00 0.00 C ATOM 1055 CG MET A 71 -12.922 -36.127 17.093 1.00 0.00 C ATOM 1056 SD MET A 71 -14.011 -34.821 16.470 1.00 0.00 S ATOM 1057 CE MET A 71 -13.501 -34.907 14.737 1.00 0.00 C ATOM 0 H MET A 71 -16.021 -37.091 18.190 1.00 0.00 H new ATOM 0 HA MET A 71 -13.800 -38.418 16.958 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.322 -36.117 18.740 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.803 -36.912 19.104 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.946 -35.712 17.346 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.758 -36.878 16.320 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.058 -34.171 14.157 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.434 -34.697 14.661 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.703 -35.905 14.347 1.00 0.00 H new ATOM 1067 N PRO A 72 -12.609 -39.812 18.775 1.00 0.00 N ATOM 1068 CA PRO A 72 -12.105 -40.850 19.683 1.00 0.00 C ATOM 1069 C PRO A 72 -11.673 -40.267 21.033 1.00 0.00 C ATOM 1070 O PRO A 72 -11.239 -39.135 21.120 1.00 0.00 O ATOM 1071 CB PRO A 72 -10.890 -41.412 18.945 1.00 0.00 C ATOM 1072 CG PRO A 72 -10.446 -40.303 18.052 1.00 0.00 C ATOM 1073 CD PRO A 72 -11.691 -39.566 17.648 1.00 0.00 C ATOM 0 HA PRO A 72 -12.866 -41.596 19.912 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.102 -41.700 19.641 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.151 -42.302 18.372 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.752 -39.641 18.570 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.923 -40.692 17.178 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.501 -38.502 17.508 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.096 -39.944 16.709 1.00 0.00 H new ATOM 1081 N PRO A 73 -11.797 -41.065 22.103 1.00 0.00 N ATOM 1082 CA PRO A 73 -11.421 -40.640 23.458 1.00 0.00 C ATOM 1083 C PRO A 73 -9.904 -40.495 23.608 1.00 0.00 C ATOM 1084 O PRO A 73 -9.142 -40.957 22.783 1.00 0.00 O ATOM 1085 CB PRO A 73 -11.929 -41.778 24.343 1.00 0.00 C ATOM 1086 CG PRO A 73 -11.968 -42.966 23.442 1.00 0.00 C ATOM 1087 CD PRO A 73 -12.312 -42.445 22.076 1.00 0.00 C ATOM 0 HA PRO A 73 -11.838 -39.666 23.713 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.267 -41.946 25.192 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.916 -41.555 24.748 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.006 -43.479 23.432 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.711 -43.688 23.782 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.841 -43.035 21.290 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.386 -42.470 21.894 1.00 0.00 H new ATOM 1095 N SER A 74 -9.461 -39.855 24.655 1.00 0.00 N ATOM 1096 CA SER A 74 -7.994 -39.679 24.856 1.00 0.00 C ATOM 1097 C SER A 74 -7.429 -40.898 25.587 1.00 0.00 C ATOM 1098 O SER A 74 -6.231 -41.079 25.677 1.00 0.00 O ATOM 1099 CB SER A 74 -7.742 -38.422 25.691 1.00 0.00 C ATOM 1100 OG SER A 74 -8.237 -38.621 27.007 1.00 0.00 O ATOM 0 H SER A 74 -10.051 -39.446 25.380 1.00 0.00 H new ATOM 0 HA SER A 74 -7.504 -39.577 23.888 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.675 -38.201 25.722 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.232 -37.563 25.232 1.00 0.00 H new ATOM 0 HG SER A 74 -8.074 -37.817 27.543 1.00 0.00 H new ATOM 1106 N ASP A 75 -8.281 -41.737 26.111 1.00 0.00 N ATOM 1107 CA ASP A 75 -7.789 -42.943 26.835 1.00 0.00 C ATOM 1108 C ASP A 75 -7.635 -44.102 25.850 1.00 0.00 C ATOM 1109 O ASP A 75 -8.591 -44.548 25.246 1.00 0.00 O ATOM 1110 CB ASP A 75 -8.792 -43.327 27.924 1.00 0.00 C ATOM 1111 CG ASP A 75 -8.246 -44.512 28.725 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -7.492 -44.277 29.654 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -8.592 -45.635 28.394 1.00 0.00 O ATOM 0 H ASP A 75 -9.295 -41.639 26.069 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.823 -42.725 27.291 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.970 -42.479 28.585 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.750 -43.588 27.475 1.00 0.00 H new ATOM 1118 N GLU A 76 -6.439 -44.596 25.682 1.00 0.00 N ATOM 1119 CA GLU A 76 -6.225 -45.727 24.736 1.00 0.00 C ATOM 1120 C GLU A 76 -6.585 -45.281 23.318 1.00 0.00 C ATOM 1121 O GLU A 76 -7.365 -44.350 23.190 1.00 0.00 O ATOM 1122 CB GLU A 76 -7.113 -46.905 25.142 1.00 0.00 C ATOM 1123 CG GLU A 76 -6.759 -47.345 26.564 1.00 0.00 C ATOM 1124 CD GLU A 76 -5.311 -47.840 26.597 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -4.759 -48.065 25.533 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -4.781 -47.985 27.686 1.00 0.00 O ATOM 1127 OXT GLU A 76 -6.077 -45.878 22.383 1.00 0.00 O ATOM 0 H GLU A 76 -5.601 -44.265 26.159 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.179 -46.033 24.765 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.163 -46.617 25.090 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.975 -47.734 24.448 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.886 -46.513 27.256 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.433 -48.137 26.890 1.00 0.00 H new TER 1134 GLU A 76